SCHEMBL3023196

SCHEMBL3023196

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCCC4)nc(-n4cc(C(N)=O)cn4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.63
ADORA1 P30542 14/20 0.63
ADORA2A P29274 10/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3022462 0.99 ADORA3 (0.62) ADORA3ADORA1ADORA2A
SCHEMBL3022869 0.91 ADORA3 (0.54) ADORA3ADORA1ADORA2A
SCHEMBL3022866 0.91 ADORA3 (0.54) ADORA3ADORA1ADORA2A
SCHEMBL3022452 0.87 ADORA3 (0.56) ADORA3ADORA1ADORA2A
Hydrochloric Acid SCHEMBL3016044 0.85 ADORA3 (0.67) ADORA3ADORA1ADORA2A
SCHEMBL3026658 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2A
SCHEMBL3011335 0.83 ADORA3 (0.52) ADORA3ADORA1ADORA2A
SCHEMBL3011474 0.82 ADORA3 (0.49) ADORA3ADORA1ADORA2A
SCHEMBL3011264 0.82 ADORA3 (0.49) ADORA3ADORA1ADORA2A
SCHEMBL3011253 0.82 ADORA3 (0.49) ADORA3ADORA1ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA1 2/4885ADORA2A 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.